3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid

C15H20N2O3 — CID 115339856

IUPAC3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)C2CCNCC2)c1
InChIInChI=1S/C15H20N2O3/c18-14(19)5-4-11-2-1-3-13(10-11)17-15(20)12-6-8-16-9-7-12/h1-3,10,12,16H,4-9H2,(H,17,20)(H,18,19)
InChIKeyCVFLYOMAKAIGNT-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.64
Rot. Bonds5

About 3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid

3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid (PubChem CID 115339856) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid
PubChem CID115339856
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)C2CCNCC2)c1
InChIInChI=1S/C15H20N2O3/c18-14(19)5-4-11-2-1-3-13(10-11)17-15(20)12-6-8-16-9-7-12/h1-3,10,12,16H,4-9H2,(H,17,20)(H,18,19)
InChIKeyCVFLYOMAKAIGNT-UHFFFAOYSA-N
XLogP1.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(piperidin-4-ylcarbamoylamino)phenyl]propanoic acid
CID 115340762
3-[3-(bicyclo[3.1.0]hexane-3-carbonylamino)phenyl]propanoic acid
CID 115339348
3-[3-[[4-(ethylaminomethyl)cyclohexanecarbonyl]amino]phenyl]propanoic acid
CID 167940625
N-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide
CID 119333866
N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43711978
3-[3-(piperazine-1-carbonylamino)phenyl]propanoic acid
CID 115340755
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
3-[3-[[2-(cyclohexanecarbonylamino)acetyl]amino]phenyl]propanoic acid
CID 120613844
N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide
CID 119327208
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid
CID 115339862
N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide
CID 114293194

Frequently Asked Questions

What is the IUPAC name of 3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid?
The IUPAC name of 3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid (CID 115339856) is 3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid is O=C(O)CCc1cccc(NC(=O)C2CCNCC2)c1.
What is the InChIKey of 3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid?
The InChIKey is CVFLYOMAKAIGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(19)5-4-11-2-1-3-13(10-11)17-15(20)12-6-8-16-9-7-12/h1-3,10,12,16H,4-9H2,(H,17,20)(H,18,19).
What are the key properties of 3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid?
3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid is sourced from PubChem (CID 115339856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).